(E)-N-[(4-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(4-hexoxyanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-hexoxyphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-2-3-4-5-16-29-20-13-9-18(10-14-20)23-22(30)24-21(26)15-8-17-6-11-19(12-7-17)25(27)28/h6-15H,2-5,16H2,1H3,(H2,23,24,26,30)/b15-8+